2-[(4Z)-4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
Formula:C22H16N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4Z)-4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[(4Z)-4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide |
| MolecularFormula | C22H16N3O3ClS2 |
| Smiles | O=C(CN(C(/C(/N1)=C/c2ccc(Sc(cc3)ccc3Cl)s2)=O)C1=O)Nc1ccccc1 |
| InChI | InChI=1S/C22H16ClN3O3S2/c23-14-6-8-16(9-7-14)30-20-11-10-17(31-20)12-18-21(28)26(22(29)25-18)13-19(27)24-15-4-2-1-3-5-15/h1-12H,13H2,(H,24,27)(H,25,29) |
| InChIK | IEQBYVCGKXKUDO-UHFFFAOYSA-N |
| TotalMolweight | 469.972 |
| Molweight | 469.972 |
| MonoisotopicMass | 469.032159 |
| CLogP | 4.412 |
| CLogS | -6.197 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 333.07 |
| Relative PSA | 0.31057 |
| PolarSurfaceArea | 132.05 |
| Druglikeness | 6.3154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - 2-[(4Z)-4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide | 2 - 2-[(4Z)-4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
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